9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole

C64H40N6 — CID 171578671

IUPAC9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole
SMILESc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2nc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)n2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C64H40N6/c1-9-27-52-44(18-1)45-19-2-10-28-53(45)67(52)42-38-36-41(37-39-42)43-26-17-35-60(68-54-29-11-3-20-46(54)47-21-4-12-30-55(47)68)63(43)64-65-61(69-56-31-13-5-22-48(56)49-23-6-14-32-57(49)69)40-62(66-64)70-58-33-15-7-24-50(58)51-25-8-16-34-59(51)70/h1-40H
InChIKeyHULIUBCPWYDVDS-UHFFFAOYSA-N
MW893.07 g/mol
LogP16.20
Rot. Bonds6

About 9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole

9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole (PubChem CID 171578671) has the molecular formula C64H40N6 and a molecular weight of 893.07 g/mol. Its IUPAC name is 9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole.

Molecular Properties

Compound Name9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole
PubChem CID171578671
Molecular FormulaC64H40N6
Molecular Weight893.07 g/mol
Exact Mass892.33
IUPAC Name9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole
SMILESc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2nc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)n2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C64H40N6/c1-9-27-52-44(18-1)45-19-2-10-28-53(45)67(52)42-38-36-41(37-39-42)43-26-17-35-60(68-54-29-11-3-20-46(54)47-21-4-12-30-55(47)68)63(43)64-65-61(69-56-31-13-5-22-48(56)49-23-6-14-32-57(49)69)40-62(66-64)70-58-33-15-7-24-50(58)51-25-8-16-34-59(51)70/h1-40H
InChIKeyHULIUBCPWYDVDS-UHFFFAOYSA-N
XLogP16.20
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.07
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-9-phenylcarbazole
CID 171578340
9-[4-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578279
9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171578692
9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578216
2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)-2-pyridinyl]phenyl]-9-phenylcarbazole
CID 171578221
3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 171578191
bis(9-[6-carbazol-9-yl-2-(2,6-diphenylphenyl)pyrimidin-4-yl]carbazole);bis(9-[2-(2,6-diphenylphenyl)-6-pyrido[3,4-b]indol-9-ylpyrimidin-4-yl]pyrido[3,4-b]indole)
CID 165011773
3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole
CID 146626081
(4-carbazol-9-ylphenyl)-[4-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-diphenylsilane
CID 174090365
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyldibenzothiophen-1-yl]phenyl]carbazole
CID 146581802
9-[6-carbazol-9-yl-4-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazole
CID 171578653

Frequently Asked Questions

What is the IUPAC name of 9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole?
The IUPAC name of 9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole (CID 171578671) is 9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole.
What is the SMILES notation for 9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole?
The canonical SMILES for 9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole is c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2nc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)n2)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole?
The InChIKey is HULIUBCPWYDVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N6/c1-9-27-52-44(18-1)45-19-2-10-28-53(45)67(52)42-38-36-41(37-39-42)43-26-17-35-60(68-54-29-11-3-20-46(54)47-21-4-12-30-55(47)68)63(43)64-65-61(69-56-31-13-5-22-48(56)49-23-6-14-32-57(49)69)40-62(66-64)70-58-33-15-7-24-50(58)51-25-8-16-34-59(51)70/h1-40H.
What are the key properties of 9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole?
9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole has a molecular weight of 893.07 g/mol, XLogP of 16.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole is sourced from PubChem (CID 171578671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).